Hydrogen atom-hydrogen atom scattering is a prototype for many of the fundamental principles of atomic collisions. In this work we present the formalism and the predictions of a time-dependent self-consistent-field description of the H + H system for scattering in the intermediate energy regime of 1-100 keV. Because of the unrestricted nature of the numerical orbital description, this method includes the effects of an unlimited basis set within each orbital. Electron exchange and a limited amount of electron correlation are included as well. We solve numerically coupled three-dimensional Schrodinger equations for the two-electron orbitals in singlet and triplet symmetries. Excitation and ionization cross sections are computed and compared with other theory and experiment. The results capture many features of the problem but illustrate a need for more quantitative experimental information concerning the H + H system in this energy range.
The cookoff of energetic materials involves the combined effects of several physical and chemical processes. These processes include heat transfer, chemical decomposition, and mechanical response. The interaction and coupling between these processes influence both the time-to-event and the violence of reaction. The prediction of the behavior of explosives during cookoff, particularly with respect to reaction violence, is a challenging task. To this end, a joint DoD/DOE program has been initiated to develop models for cookoff, and to perform experiments to validate those models. In this paper, a series of cookoff analyses are presented and compared with data from a number of experiments for the aluminized, RDX-based, Navy explosive PBXN-109. The traditional thermal-chemical analysis is used to calculate time-to-event and characterize the heat transfer and boundary conditions. A reaction mechanism based on Tarver and McGuire's work on RDX{sup 2} was adjusted to match the spherical one-dimensional time-to-explosion data. The predicted time-to-event using this reaction mechanism compares favorably with the validation tests. Coupled thermal-chemical-mechanical analysis is used to calculate the mechanical response of the confinement and the energetic material state prior to ignition. The predicted state of the material includes the temperature, stress-field, porosity, and extent of reaction. There is little experimental data for comparison to these calculations. The hoop strain in the confining steel tube gives an estimation of the radial stress in the explosive. The inferred pressure from the measured hoop strain and calculated radial stress agree qualitatively. However, validation of the mechanical response model and the chemical reaction mechanism requires more data. A post-ignition burn dynamics model was applied to calculate the confinement dynamics. The burn dynamics calculations suffer from a lack of characterization of the confinement for the flaw-dominated failure mode experienced in the tests. High-pressure burning rates are needed for more detailed post-ignition studies. Sub-models for chemistry, mechanical response and burn dynamics need to be validated against data from less complex experiments. The sub-models can then be used in integrated analysis for comparison with experimental data taken during integrated tests.
Since the discovery of surfactant-templated silica by Mobil scientists in 1992, mesostructured silica has been synthesized in various forms including thin films, powders, particles, and fibers. In general, mesostructured silica has potential applications, such as in separation, catalysis, sensors, and fluidic microsystems. In respect to these potential applications, mesostructured silica in the form of thin films is perhaps one of the most promising candidates. The preparation of mesostructured silica films through preferential solvent evaporation-induced self-assembly (EISA) has recently received much attention in the laboratories. However, no amphiphile/silica films with reverse mesophases have ever been made through this EISA procedure. Furthermore, templates employed to date have been either surfactants or poly(ethylene oxide)-b-poly(propylene oxide)-b-poly(ethylene oxide) triblock copolymers, such as pluronic P-123, both of which are water-soluble and alcohol-soluble. Due to their relatively low molecular weight, the templated silica films with mesoscopic order have been limited to relatively small characteristic length scales. In the present communication, the authors report a novel synthetic method to prepare mesostructured amphiphilic/silica films with regular and reverse mesophases of large characteristic length scales. This method involves evaporation-induced self-assembly (EISA) of amphiphilic polystyrene-block-poly(ethylene oxide) (PS-b-PEO) diblock copolymers. In the present study, the PS-b-PEO diblocks are denoted as, for example, PS(215)-b-PEO(100), showing that this particular sample contains 215 S repeat units and 100 EO repeat units. This PS(215)-b-PEO(100) diblock possesses high molecular weight and does not directly mix with water or alcohol. To the authors knowledge, no studies have reported the use of water-insoluble and alcohol-insoluble amphiphilic diblocks as structure-directing agents in the synthesis of mesostructured silica films through EISA. It is believed that the present system is the first to yield amphiphile/silica films with regular and reverse mesophases, as well as curved multi-bilayer mesostructures, through EISA. The ready formation of the diblock/silica films with multi-bilayer vesicular mesostructures is discussed.
Heat pipes are often proposed as cooling system components for small fission reactors. SAFE-300 and STAR-C are two reactor concepts that use heat pipes as an integral part of the cooling system. Heat pipes have been used in reactors to cool components within radiation tests (Deverall, 1973); however, no reactor has been built or tested that uses heat pipes solely as the primary cooling system. Heat pipe cooled reactors will likely require the development of a test reactor to determine the main differences in operational behavior from forced cooled reactors. The purpose of this paper is to describe the results of a systems code capable of modeling the coupling between the reactor kinetics and heat pipe controlled heat transport. Heat transport in heat pipe reactors is complex and highly system dependent. Nevertheless, in general terms it relies on heat flowing from the fuel pins through the heat pipe, to the heat exchanger, and then ultimately into the power conversion system and heat sink. A system model is described that is capable of modeling coupled reactor kinetics phenomena, heat transfer dynamics within the fuel pins, and the transient behavior of heat pipes (including the melting of the working fluid). The paper focuses primarily on the coupling effects caused by reactor feedback and compares the observations with forced cooled reactors. A number of reactor startup transients have been modeled, and issues such as power peaking, and power-to-flow mismatches, and loading transients were examined, including the possibility of heat flow from the heat exchanger back into the reactor. This system model is envisioned as a tool to be used for screening various heat pipe cooled reactor concepts, for designing and developing test facility requirements, for use in safety evaluations, and for developing test criteria for in-pile and out-of-pile test facilities.
An integrated approach, combining the continuum theory of sintering and Potts model based mesostructure evolution analysis, is used to solve the problem of bi-layered structure sintering. Two types of bi-layered structures are considered: layers of the same material with different initial porosity, and layers of two different materials. The effective sintering stress for the bi-layer powder sintering is derived, both at the meso- and the macroscopic levels. Macroscopic shape distortions and spatial distributions of porosity are determined as functions of the dimensionless specific time of sintering. The effect of the thickness of the layers on shrinkage, warpage, and pore-grain structure is studied. Ceramic ZnO powders are employed as a model experimental system to assess the model predictions.
This paper presents an analysis technique used to generate the structural response at locations not measured during the ejection of a captive-carried store. The ejection shock event is complicated by the fact that forces may be imparted to the store at eight distinct locations. The technique derives forcing functions by combining the initial field test data for a limited number of measurement locations with Frequency Response Functions (FRFs) measured using a traditional modal-type impact (tap) test at the same locations. The derived forcing functions were then used with tap test FRFs measured at additional locations of interest to produce the desired response data.
Operating in a potentially hostile city is every soldier's nightmare. The staggering complexity of the urban environment means that deadly threats--or non-combatants-may lurk behind every corner, doorway, or window. Urban operations present an almost unparalleled challenge to the modern professional military. The complexity of urban operations is further amplified by the diversity of missions that the military will be called upon to conduct in urban terrain. Peace-making and peace-keeping missions, urban raids to seize airports or WMD sites or to rescue hostages, and extended urban combat operations all present different sorts of challenges for planners and troops on the ground. Technology almost never serves as a magic bullet, and past predictions of technological miracles pile high on the ash heap of history. At the same time, it is a vital element of planning in the modern age to consider and, if possible, take advantage of emerging technologies. We believe that technologies can assist military operations in urbanized terrain (MOUT) in three primary areas, which are discussed.
This paper summarizes an evaluation of a treatment loop designed to upgrade the quality of spent rinse waters discharged from 10 wet benches located in the fab at Sandia's Microelectronics Development Laboratory (MDL). The goal of the treatment loop is to make these waters, presently being discharged to the fab's acid waste neutralization (AWN) station, suitable for recycling as feed water back into the fab's ultrapure water (UPW) plant. The MDL typically operates 2 shifts per day, 5 days per week. Without any treatment, the properties of the spent rinse waters now being collected have been shown to be compatible with recycling about 30% (50/168) of the time (weekends primarily, when the fab is idling) which corresponds to about 12% of the present water discharged from the fab to the AWN. The primary goal of adding a treatment loop is to increase the percentage of recyclable water from these 10 wet benches to near 100%, increasing the percentage of total recyclable water to near 40% of the total present fab discharge to the AWN. A second goal is to demonstrate compatibility with recycling this treated spent rinse water to the present R/O product water tank, reducing both the present volume of R/O reject water and the present load on the R/O. The approach taken to demonstrate achieving these goals is to compare all the common metrics of water quality for the treated spent rinse waters with those of the present R/O product water. Showing that the treated rinse water is equal or superior in quality to the water presently stored in the R/O tank by every metric all the time is assumed to be sufficient argument for proceeding with plans to incorporate recycling of these spent rinse waters back into MDL's R/O tank.
The use of plasma spray to deposit thin metal-sulfide cathode films is described in this paper. Conventional electroactive stack components in thermal batteries are constructed from pressed-powder parts that are difficult to fabricate in large diameters in thicknesses <0.010. Plasma-sprayed electrodes do not steer from this difficulty, allowing greater energy densities and specific energies to be realized. Various co-spraying agents have been found suitable for improving the mechanical as well as electrochemical properties of plasma-sprayed cathodes for thermal batteries. These electrodes generally show equal or improved performance over conventional pressed-powder electrodes. A number of areas for future growth and development of plasma-spray technology is discussed.